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Towards advanced zinc anodes by interfacial modification strategies for efficient aqueous zinc metal batteries

Journal of Energy chemistry 2024年第6期93卷 79-110,I0003页

作者： changchun Fan Weijia Meng Jiaye Ye Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology Ministry of EducationSchool of ChemistryBeihang UniversityBeijing 100191China Shaanxi Key Laboratory of New Transportation Energy and Automotive Energy Saving School of Energy and Electrical EngineeringChang’an UniversityXi’an 710061ShaanxiChina School of chemistry and Physics Faculty of ScienceQueensland University of TechnologyBrisbaneQLD 4001Australia Centre for Materials Science Queensland University of TechnologyBrisbaneQLD 4001Australia

Developing sustainable and clean energy sources(e.g.,solar,wind,and tide energy)is essential to achieve the goal of carbon *** to the discontinuous and inco nsistent nature of common clean energy sources,high-performance energy storage technologies are a critical part of achieving this *** zinc metal batteries(AZMBs)with inherent safety,low cost,and competitive performance are regarded as one of the promising candidates for grid-scale energy ***,zinc metal anodes(ZMAs)with irreversible problems of dendrite growth,hydrogen evolution reaction,self-corrosio n,and other side reactions have seriously hindered the development and commercialization of *** increasing number of researchers are focusing on the stability of ZMAs,so assessing the effectiveness of existing research strategies is critical to the development of *** review aims to provide a comprehensive overview of the fundamentals and challenges of *** rch strategies for interfacial modification of ZMAs are systematically *** features of artificial interfacial coating and in-situ interfacial coating of ZMAs are compared and discussed in detail,as well as the effect of modified interfacial ZMA on the full-battery ***,perspectives are provided on the problems and challenges of *** review is expected to offer a constructive reference for the further development and commercialization of AZMBs.

关键词： Aqueous zinc metal batteries Zinc metal anode Interfacial modification Artificial interfacial coating In-situ interfacial coating

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Quantifying quantum entanglement via machine learning models

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Communications in Theoretical Physics 2024年第7期76卷 52-56页

作者： changchun Feng Lin Chen LMIB(Beihang university) Ministry of EducationBeijing 100191China School of Mathematical Sciences Beihang UniversityBeijing 100191China International Research Institute for Multidisciplinary Science Beihang UniversityBeijing 00191China

Quantifying entanglement measures for quantum states with unknown density matrices is a challenging *** learning offers a new perspective to address this *** training machine learning models using experimentally measurable data,we can predict the target entanglement *** this study,we compare various machine learning models and find that the linear regression and stack models perform better than *** investigate the model's impact on quantum states across different dimensions and find that higher-dimensional quantum states yield better ***,we investigate which measurable data has better predictive power for target entanglement *** correlation analysis and principal component analysis,we demonstrate that quantum moments exhibit a stronger correlation with coherent information among these data features.

关键词： quantum information entanglement predict machine learning coherence

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Finite-time composite learning control for nonlinear teleoperation systems under networked time-varying delays

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Science china(Information Sciences) 2024年第6期67卷 279-296页

作者： Yana YANG Huixin JIANG changchun HUA Junpeng LI Institute of Electrical Engineering Yanshan University

The robust finite-time synchronization control problem is investigated for master-slave networked nonlinear telerobotics systems(NNTSs) in this article. Although there have been some research achievements on finite-time control for the NNTSs, these studies are based on the strong assumptions of communication time delays or can only achieve finite-time bounded convergence even when the external forces are *** and in view of the importance of these issues, a novel robust composite learning adaptive control scheme rendering the finite-time master-slave synchronization is proposed in this paper. In particular, the influence of time delays on finite-time convergence of the system is analyzed by employing the multi-dimension finite-time small-gain framework. Meanwhile, in order to achieve accurate and fast estimation of uncertain parameters of the system, both the online historical and the instantaneous data of the estimation data are explored to derive the new parameter adaptive law under a more realizable interval-excitation(IE) ***, the convergence of the position/force synchronization errors and the adaptive parameter estimation errors is obtained in finite time, and enhanced robustness of the closed-loop system will also be ***, the superior performance of the proposed control algorithms is validated by numerical simulations and hardware experiments.

关键词： networked teleoperation systems finite-time control exact parameter estimation small-gain theorem unknown communication delays

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DFT evaluation of the electronic structures and spectroscopic properties of the self-assembled [Pt_2M_4(C≡CH)_8](M=Cu,Ag) clusters

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Science china chemistry 2009年第11期52卷 1954-1960页

作者： BAI FuQuan1,XIA BaoHui1,2,ZHANG HongXing1,YANG BaoZhu1,WANG Jian1 & SUN Lei1 1 State Key Laboratory of Theoretical and Computational chemistry,Institute of Theoretical chemistry,jilin university,changchun 13.023,china 2 college of chemistry,jilin university,changchun 13.023,china State Key Laboratory of Theoretical and Computational chemistry Institute of Theoretical Chemistry Jilin University Changchun 130023 China college of chemistry Jilin University Changchun 130023 China

Electronic structures and spectroscopic properties of self-assembled [Pt2M4(C≡CH)8](M=Cu,Ag) clusters have been studied by the TD-DFT(time-dependent density functional theory) calculations with the polarizable continuum model(PCM).The ground-and excited-state structures were optimized by the DFT(density functional theory) *** calculated structures and spectroscopic properties are in agreement with the corresponding experimental *** [Pt2Ag4(C≡CH)8] clusters have two stable ground state geometries(D4 and D4h symmetry).The calculated Pt-M distances suggest only very weak *** Cu-Cu distances are larger than the van der Waals radii of two Cu atoms and the Ag-Ag distances are analogous with the sum of van der Waals radii of two Ag *** excitation,the interaction of Pt…M,Ag…Ag is strengthened,while the Cu…Cu distances are shortened but they are still larger than the sum of van der Waals radii of two Cu *** lowest-energy absorptions are at 450,365 and 375 nm and the emissions are at 611,431 and 435 nm for [Pt2Cu4(C≡CH)8],[Pt2Ag4(C≡CH)8](A) and(B),*** transitions are all perturbed by the Cu or Ag composition through the UV-Vis spectra region;therefore,there are not pure ILCT or MPtLCT characteristics(ILCT:intraligand charge transfer;MLCT:metal-to-ligand charge transfer) in absorptions of heteropolynuclear [Pt2M4(C≡CH)8] *** the emissions and the lowest-absorptions have different transition characteristics for each complex,the emissions should not come from the lowest-energy *** the M…M interactions in the excited state of [Pt2Ag4(C≡CH)8] are augmented,the emissions of [Pt2Ag4(C≡CH)8] clusters bear prominent ILCT character,which is the reason why the emission wavelengths of [Pt2Ag4(C≡CH)8] have a small hypsochromic shift relative to the emission wavelength of homoleptic [Pt(C≡CH)4]2-precursor.

关键词： electronic structures luminescence behavior heteropolynuclear complexes TDDFT

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Automatic Road Tunnel Crack Inspection Based on Crack Area Sensing and Multiscale Semantic Segmentation

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Computers, Materials & Continua 2024年第4期79卷 1679-1703页

作者： Dingping Chen Zhiheng Zhu Jinyang Fu jilin He college of Mechanical and Electrical Engineering Central South UniversityChangsha410083China Department of Geotechnical Guangdong Hualu Transportation Technology Company LimitedGuangzhou510000China National Engineering Research Center of High-Speed Railway Construction Technology Changsha410075China

The detection of crack defects on the walls of road tunnels is a crucial step in the process of ensuring travel safetyand performing routine tunnel maintenance. The automatic and accurate detection of cracks on the surface of roadtunnels is the key to improving the maintenance efficiency of road tunnels. Machine vision technology combinedwith a deep neural network model is an effective means to realize the localization and identification of crackdefects on the surface of road *** propose a complete set of automatic inspection methods for identifyingcracks on the walls of road tunnels as a solution to the problem of difficulty in identifying cracks during manualmaintenance. First, a set of equipment applied to the real-time acquisition of high-definition images of walls inroad tunnels is designed. Images of walls in road tunnels are acquired based on the designed equipment, whereimages containing crack defects are manually identified and selected. Subsequently, the training and validationsets used to construct the crack inspection model are obtained based on the acquired images, whereas the regionscontaining cracks and the pixels of the cracks are finely labeled. After that, a crack area sensing module is designedbased on the proposed you only look once version 7 model combined with coordinate attention mechanism (CAYOLOV7) network to locate the crack regions in the road tunnel surface images. Only subimages containingcracks are acquired and sent to the multiscale semantic segmentation module for extraction of the pixels to whichthe cracks belong based on the DeepLab V3+ network. The precision and recall of the crack region localizationon the surface of a road tunnel based on our proposed method are 82.4% and 93.8%, respectively. Moreover, themean intersection over union (MIoU) and pixel accuracy (PA) values for achieving pixel-level detection accuracyare 76.84% and 78.29%, respectively. The experimental results on the dataset show that our proposed two-staged

关键词： Road tunnel crack inspection crack area sensing multiscale semantic segmentation CA-YOLO V7 DeepLab V3+

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Properties of meso-tetrakis (4-n-alkanoyloxyphenyl) porphyrin liquid crystal Co and Ni complexes

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Science china chemistry 2007年第4期50卷 488-493页

作者： LIU Wei1,2 & SHI TongShun2 1 college of Materials Science and Engineering, Shandong university of Technology, Zibo 255049, china 2 Department of chemistry, jilin university, changchun 13.023, china 1. college of Materials Science and Engineering Shandong University of Technology Zibo 255049 China 2. Department of chemistry Jilin University Changchun 130023 China

Six series of meso-tetrakis (4-n-alkanoyloxyphenyl) porphyrin Co and Ni complexes (12 kinds) were reported. Nine of the compounds were found to exhibit liquid crystal properties and display a hexagonal columnar discotic columnar (Colh) phase. Molecular structure of all synthesized compounds was confirmed by IR, UV, MS, 1H NIVR, and elemental analysis. These liquid crystalline compounds have been studied by cyclic voltammetry, luminescence, and surface photovoltage spectroscopy.

关键词： porphyrin liquid crystal cyclic voltammetry luminescence surface photovoltage spectroscopy

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Preparation and Electrochemical Behaviors of AA-PEGMA Copolymer Film Electrode

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Chemical Research in Chinese Universities 2012年第1期28卷 156-161页

作者： Lü Xue and LIU Feng-qi college of chemistry, jilin university, changchun 130012, P. R. china jilin Univ Coll Chem Changchun 130012 Peoples R China

A new kind of comblike copolymer film composed of acrylic acid-polyethylene glycol monomethyl ether acrylate copolymer（AA-PEGMA copolymer） was successfully synthesized to immobilize hemoglobin（Hb）. FTIR, UV-Vis and CD spectra suggest that Hb kept its original structure in the AA-PEGMA copolymer film without denaturation. A pair of well-defined, quasi-reversible cyclic voltammetric peaks at around –270 mV vs. saturated calomel electrode（SCE） for the Hb Fe（III）/Fe（II） redox couple was observed on the film-modified electrode in phos phate buffer solution（PBS, pH=7.0）. The formal potential of Hb/AA-PEGMA copolymer film-modified electrode is linearly dependent on solution pH with a slope of –46.3 mV/pH, illustrating that one-proton transfer was accompa nied with each electron transfer. Furthermore, the modified electrode displayed electrocatalytic response to the reduc tion of H2O2 with a linear range of 3.5―126 μmol/L and a detection limit of 1.17 μmol/L. In conclusion, the AA-PEGMA copolymer film was proved to be an excellent matrix for the immobilization and electrochemistry of proteins.

关键词： Copolymer film Hemoglobin Comblike polymer Electrochemical behavior

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Theoretical studies on Ru(fppz)_2(CO)L (L=N-heterocyclic ligand):Electronic structure,absorption,phosphorescence,and solvatochromism

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Science china chemistry 2008年第12期51卷 1211-1220页

作者： LIU Tao1, ZHOU Xin1, BAI FuQuan1, ZHANG JianPo1, XIA BaoHui1,2, PAN QingJiang3 & ZHANG HongXing1 1 State Key Laboratory of Theoretical and Computational chemistry, Institute of Theoretical chemistry, jilin university, changchun 13.023, china 2 college of chemistry, jilin university, changchun 13.023, china 3 Laboratory of Physical chemistry, School of chemistry and Materials Science, Heilongjiang university, Harbin 150080, china State Key Laboratory of Theoretical and Computational chemistry Institute of Theoretical Chemistry Jilin University Changchun 130023 China college of chemistry Jilin University Changchun 130023 China Laboratory of Physical chemistry School of Chemistry and Materials Science Heilongjiang University Harbin 150080 China

A series of ruthenium(II) complexes Ru(fppz)2(CO)L [fppz = 3-trifluoromethyl-5(2-pyridyl)pyrazole; L = pyridine (1), 4-dimethylaminopyridine (2), 4-cyanopyridine (3)] were designed and investigated theo-retically to explore their electronic structures, absorption, and emissions as well as the solvatochrom-ism. The singlet ground state and triplet excited state geometries were fully optimized at the B3LYP/LANL2DZ and CIS/LANL2DZ level, respectively. The HOMO of 1-3 is composed of dyz(Ru) atom and π(fppz). The LUMO of 1 and 2 is dominantly contributed by π*(fppz) orbital, but that of 3 is con-tributed by π*(L). Absorption and phosphorescence in vacuo, C6H12, and CH3CN media were calculated using the TD-DFT level of theory with the PCM model based on the optimized ground and excited state geometries, respectively. The lowest-lying absorption of 1 and 2 at 387 and 391 nm is attributed to {[dyz(Ru) + π(fppz)] → [π*(fppz)]} transition, but that of 3 at 479 nm is assigned to {[dyz(Ru) + π(fppz)] → [π*(L)]} transition. The phosphorescence of 1 and 2 at 436 and 438 nm originates from 3{[dyz(Ru) + π(fppz)] [π*(fppz)]} excited state, while that of 3 at 606 nm is from 3{[dyz(Ru) + π(fppz)] [π*(L)]} excited state. The calculation results showed that the absorption and emission transition character can be changed from MLCT/ILCT to MLCT/LLCT transition by altering the substituent on the L ligand. The phosphorescence of 1 and 2 does not have solvatochromism, but that of 3 at 606 nm (vacuo), 584 nm (C6H12), and 541 nm (CH3CN) is strongly dependent on the solvent polarity, so introducing elec-tron-withdrawing group on ligand L will induce remarkable solvatochromism.

关键词： ruthenium complex DFT phosphorescence solvatochromism

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Arnold's theorem on properly degenerate systems with the Russmann nondegeneracy

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Science china Mathematics 2005年第12期48卷 1656-1669页

作者： HAN Yuecai & LI Yong college of Mathematics, jilin university, changchun 130012, china 1. college of Mathematics Jilin University 130012 Changchun China

In this paper, we investigate the persistence of invariant tori for the nearly in-tegrable Hamiltonian system H(x,y) = h(y) + εp(x,y) + ε2Q(x,y), where h(y) and εp(x,y) satisfy the Russmann non-degenerate condition. Mainly we overcome the difficulties that the order of the parameter E in the perturbation ε2Q(x,y) is not enough and that the measure estimate involves in parts of frequencies with small parameter.

关键词： Arnold’s theorem the Russmann non-degenerate condition.

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Transition metal coordination polymers with polycarboxylic acid as bridging ligands:Synthesis and structure characterization of[Fe(μ_(4)-bta)_(0.5)(phen)(OH)]_(n)

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Science china chemistry 2004年第1期47卷 10-16页

作者： XU Jiqing, CHU Deqing, YU Jiehui, WANG Tiegang & TANG Aoqingcollege of chemistry and State Key Laboratory of Inorganic Synthesis and Preparative chemistry, jilin university, changchun 13.023, china Institute of Theoretical chemistry, jilin university, changchun 13.023, china 1. college of chemistry and State Key Laboratory of Inorganic Synthesis and Preparative chemistry Jilin University 130023 Changchun China 2. Institute of Theoretical chemistry Jilin University 130023 Changchun China

A new 2D (two-dimensional) coordination polymer, [Fe(μ4-bta)o.5(phen)(OH)]n (1), has been hydrothermally synthesized with FeCl3 6H2, Na4bta (h4bta = 1,2,4,5-benzentetracarboxylic acid), 1,10-phen (1,10-phenanthroline) and H2O as raw materials. The crystals of the compound belong to monoclinic P21/n space group, a = 1.0129(2) nm, b = 0.9265(2) nm, c = 1.5696(3) nm, β=91.37(3)°V=1.4721(5) nm3,Z=3, final R1=0.0292, wR 2=0.0798 for 2572 [/>2σ(/)] observed reflections. The result of structure determination shows that in the compound each bta ligand is connected with four Fe3, forming a new μ4-coordination mode. Four deprotonated carboxylic groups of bta link to Fe3 ions alternatively through monodentate and bidentate coordination fashion, constructing 2D layer network. The measurement of variable temperature magnetic susceptibility indicates that there exist antiferromagnetic interactions between Fe3 ions in the compound. The TGA spectrum displays relatively fine thermal stability of the compound. In addition, IR and UV-Vis spectra of compound 1 have also been measured.

关键词： 2D coordination polymer, 1,2,4,5-benzentetracarboxylic acid, iron, hydrothermal synthesis, crystal structure.

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